chempirical

1-Boc-4-methylpiperazine

C10H20N2O2CAS 53788-49-1200.28 g/mol

Open in Covalent MOL file
OONN
CarbamateTertiary amine

Properties

Molecular formula
C10H20N2O2
Molar mass
200.28 g/mol
Exact mass
200.1525 Da
logP
1.17Crippen estimate
Polar surface area
32.8 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
53788-49-1
SMILES
CC(C)(C)OC(=O)N1CCN(CC1)C
InChIKey
CJDYFMIDIQXELO-UHFFFAOYSA-N
InChI
InChI=1S/C10H20N2O2/c1-10(2,3)14-9(13)12-7-5-11(4)6-8-12/h5-8H2,1-4H3

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Work with 1-Boc-4-methylpiperazine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1,1-Dimethylethyl 1-pyrrolidinecarboxylate86953-79-969 % similar N-Boc-piperazine57260-71-668 % similar 1,1-Dimethylethyl 1-piperidinecarboxylate75844-69-867 % similar N-Boc-diethanolamine103898-11-963 % similar N-Boc-N,N-bis(2-chloroethyl)amine118753-70-163 % similar tert-Butyl 4-oxopiperidine-1-carboxylate79099-07-363 % similar 1-Boc-4-methylenepiperidine159635-49-161 % similar 4-(2-Amino-ethyl)-piperazine-1-carboxylic acid tert-butyl ester192130-34-060 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

tert-Butyl n-((1r,3r)-3-aminocyclopentyl)carbamate1009075-44-8 tert-Butyl3-((methylamino)methyl)azetidine-1-carboxylate1049730-81-5 3-(N-Boc-methylaminomethyl)azetidine1053655-53-0 tert-Butyl 1,4-diazepane-1-carboxylate112275-50-0 (S)-1-N-Boc-2-(aminomethyl)pyrrolidine119020-01-8 tert-Butyl 3-methylpiperazine-1-carboxylate120737-59-9 tert-Butyl 2-methylpiperazine-1-carboxylate120737-78-2 1-Boc-3-aminopiperidine144243-24-3

Elsewhere

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